Chemical ID: 7207412

COc1cc(cc(c1O)C=NNC(=O)C(=O)Nc2ccccc2Cl)Br
Chemical ID:
7207412
Name [?]:
N-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methyleneamino]-N'-(2-chlorophenyl)-oxamide
SMILES [?]:
COc1cc(cc(c1O)C=NNC(=O)C(=O)Nc2ccccc2Cl)Br
InChi [?]:
InChI=1/C16H13BrClN3O4/c1-25-13-7-10(17)6-9(14(13)22)8-19-21-16(24)15(23)20-12-5-3-2-4-11(12)18/h2-8,22H,1H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,6,4,10,7,5,23,18,3,8,15,13,25,24,11,17,12,9,16,14,2/rA:25nCOCCCCCCOCNNCOCONCCCCCCClBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrClN3O4
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.26159
Area:569.084
Solvation:-4.96551
Coulombic:-67.5777
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:426.649
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.95
LogP (Chemaxon):3.1

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